SCHEMBL9843380

SCHEMBL9843380

CC1(Sc2ccccc2)CCc2cc(O)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
MGAM O43451 5/20 0.36
GAA P10253 5/20 0.36
SI P14410 5/20 0.36
MGAM2 Q2M2H8 5/20 0.36
ENTPD5 O75356 2/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
RXRA P19793 1/20 0.35
CETP P11597 1/20 0.35
PTPN1 P18031 2/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
XDH P47989 1/20 0.34
MAPT P10636 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30513267 0.75 AKT1 (0.56) AKT1MGAMGAASIMGAM2
SCHEMBL3184205 0.75 AKT1 (0.56) AKT1MGAMGAASIMGAM2
SCHEMBL11705856 0.73 AKT1 (0.55) AKT1MGAMGAASIMGAM2
SCHEMBL11343263 0.71 AKT1 (0.50) AKT1ENTPD5ESR1ESR2CETP
SCHEMBL8653315 0.71 AKT1 (0.50) AKT1MGAMGAASIMGAM2
SCHEMBL7787622 0.71 AKT1 (0.51) AKT1MGAMGAASIMGAM2
SCHEMBL21346943 0.71 AKT1 (0.46) AKT1MGAMGAASIMGAM2
SCHEMBL9749407 0.70 AKT1 (0.51) AKT1MGAMGAASIMGAM2
SCHEMBL10706197 0.69 AKT1 (0.47) AKT1MGAMGAASIMGAM2
SCHEMBL4194290 0.69 AKT1 (0.60) AKT1MGAMGAASIMGAM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420570-A2 Trans 2,3-disubstituted-2,3-dihydro-5-hydroxy-benzofurans as inhibitors of leukotriene biosynthesis MERCK & CO. INC. (US) 1991-04-03 EP disclosed